3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one

C12H20N2O2 — CID 82526386

IUPAC3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one
SMILESCCNCc1cccn(CCCOC)c1=O
InChIInChI=1S/C12H20N2O2/c1-3-13-10-11-6-4-7-14(12(11)15)8-5-9-16-2/h4,6-7,13H,3,5,8-10H2,1-2H3
InChIKeyAOEXZJGEGBBEDC-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.99
Rot. Bonds7

About 3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one

3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one (PubChem CID 82526386) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one.

Molecular Properties

Compound Name3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one
PubChem CID82526386
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one
SMILESCCNCc1cccn(CCCOC)c1=O
InChIInChI=1S/C12H20N2O2/c1-3-13-10-11-6-4-7-14(12(11)15)8-5-9-16-2/h4,6-7,13H,3,5,8-10H2,1-2H3
InChIKeyAOEXZJGEGBBEDC-UHFFFAOYSA-N
XLogP0.99
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one
CID 82526709
N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine
CID 66402534
3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82526375
1-ethyl-3-(ethylaminomethyl)pyridin-2-one
CID 82527243
3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one
CID 82526542
2-[2-[1-(3-methoxypropyl)-2-oxo-3-pyridinyl]ethyl]isoindole-1,3-dione
CID 164570831
N-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]ethanamine
CID 46784899
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)pyridin-2-one
CID 82526345
methyl 7-(3-methoxypropyl)-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
CID 66498582
3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one
CID 107017511
3-[(butan-2-ylamino)methyl]-1-pentylpyridin-2-one
CID 82526711
1-[4-(ethylamino)butyl]-3-methylpyridin-2-one
CID 63172843

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one?
The IUPAC name of 3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one (CID 82526386) is 3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one.
What is the SMILES notation for 3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one?
The canonical SMILES for 3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one is CCNCc1cccn(CCCOC)c1=O.
What is the InChIKey of 3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one?
The InChIKey is AOEXZJGEGBBEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-13-10-11-6-4-7-14(12(11)15)8-5-9-16-2/h4,6-7,13H,3,5,8-10H2,1-2H3.
What are the key properties of 3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one?
3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one has a molecular weight of 224.30 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one is sourced from PubChem (CID 82526386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).